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March 23, 2010

Symyx and Simulations Plus Ally to Augment Predictive Metabolomics Modeling

  • Symyx Technologies entered a partnership with Simulations Plus to improve the predictive modeling of metabolites. Simulations Plus will use information from the Symyx Metabolite database to develop a new system for in silico predictive modeling of metabolic properties.

    The improved model will be incorporated into a new Symyx Metabolite module that is currently expected to be offered as part of the Simulations Plus ADMET Predictor™ software suite later this year. The software will improve the reliability of metabolic biotransformation modeling for ADMET researchers.

    "Simulations Plus looks forward to developing new descriptors and methods for modeling metabolism in partnership with Symyx," says Walt Woltosz, chairman and CEO, Simulations Plus. "One of our explicit aims is the development of a predictive mathematical model that will be capable of identifying specific sites of metabolism."

    Symyx Metabolite covers xenobiotic transformations and metabolic schemes from respected published sources as well as nonproprietary metabolism studies from NDAs published by the FDA. This information helps researchers better understand degradation pathways of known compounds in humans and lab animals.


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